- InChI
- InChI=1S/C14H18O3/c1-5-6-11-9-12(16-4)7-8-13(11)17-14(15)10(2)3/h5-10H,1-4H3/b6-5-
- InChI Key
- HVYCNLFVRHNHQR-WAYWQWQTSA-N
- Formula
- C14H18O3
- SMILES
- CC=Cc1cc(OC)ccc1OC(=O)C(C)C
- Molecular Weight1
- 234.29
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6408 | Relay (1.0) Calculated Property | |
| ΔfG° | -100.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -438.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.290 | Crippen Calculated Property | |
| McVol | 193.370 | ml/mol | McGowan Calculated Property |
| Pc | 2119.73 | kPa | Joback Calculated Property |
| I | [2462.00; 2462.00] |
|
|
| I | 2462.00 | NIST | |
| I | 2462.00 | NIST | |
| Tboil | 557.81 | K | Relay (1.0) Calculated Property |
| Tc | 769.71 | K | Relay (1.0) Calculated Property |
| Tfus | 310.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.690 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.19; 578.83] | J/mol×K | [658.79; 870.40] |
|
| Cp,gas | 499.19 | J/mol×K | 658.79 | Joback Calculated Property |
| Cp,gas | 514.63 | J/mol×K | 694.06 | Joback Calculated Property |
| Cp,gas | 529.19 | J/mol×K | 729.33 | Joback Calculated Property |
| Cp,gas | 542.87 | J/mol×K | 764.60 | Joback Calculated Property |
| Cp,gas | 555.70 | J/mol×K | 799.87 | Joback Calculated Property |
| Cp,gas | 567.68 | J/mol×K | 835.13 | Joback Calculated Property |
| Cp,gas | 578.83 | J/mol×K | 870.40 | Joback Calculated Property |
| η | [0.0000935; 0.0010266] | Pa×s | [373.31; 658.79] |
|
| η | 0.0010266 | Pa×s | 373.31 | Joback Calculated Property |
| η | 0.0005495 | Pa×s | 420.89 | Joback Calculated Property |
| η | 0.0003339 | Pa×s | 468.47 | Joback Calculated Property |
| η | 0.0002225 | Pa×s | 516.05 | Joback Calculated Property |
| η | 0.0001587 | Pa×s | 563.63 | Joback Calculated Property |
| η | 0.0001193 | Pa×s | 611.21 | Joback Calculated Property |
| η | 0.0000935 | Pa×s | 658.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methoxy-2-(1-propenyl)-phenyl isobutyrate.
Sources
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